Identification of Potent Leukocyte Common Antigen-Related Phosphatase Inhibitors via Structure-Based Virtual Screening
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Park, Hwangseo | - |
dc.contributor.author | Chien, Pham Ngoc | - |
dc.contributor.author | Chun, Ha-Jung | - |
dc.contributor.author | Ryu, Seong Eon | - |
dc.date.accessioned | 2022-07-16T09:25:37Z | - |
dc.date.available | 2022-07-16T09:25:37Z | - |
dc.date.created | 2021-05-11 | - |
dc.date.issued | 2013-07 | - |
dc.identifier.issn | 0253-2964 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/162470 | - |
dc.description.abstract | Leukocyte common antigen-related phosphatase (LAP.) has been considered a promising target for the development of therapeutics for neurological diseases. Here, we report the first example for a successful application of the structure-based virtual screening to identify the novel small-molecule LAP. inhibitors. Five of these inhibitors revealed micromolar inhibitory activities with the associated IC50 values ranging from 2 to 6 mu M. Because the newly identified inhibitors were also screened for having desirable physicochemical properties as a drug candidate, they may serve as a starting point of the structure-activity relationship study to optimize the medical efficacy. Structural features relevant to the stabilization of the new inhibitors in the active site of LAR are discussed in detail. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | KOREAN CHEMICAL SOC | - |
dc.title | Identification of Potent Leukocyte Common Antigen-Related Phosphatase Inhibitors via Structure-Based Virtual Screening | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Chun, Ha-Jung | - |
dc.contributor.affiliatedAuthor | Ryu, Seong Eon | - |
dc.identifier.doi | 10.5012/bkcs.2013.34.7.2006 | - |
dc.identifier.scopusid | 2-s2.0-84881447408 | - |
dc.identifier.wosid | 000322612400014 | - |
dc.identifier.bibliographicCitation | BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.34, no.7, pp.2006 - 2010 | - |
dc.relation.isPartOf | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.citation.title | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.citation.volume | 34 | - |
dc.citation.number | 7 | - |
dc.citation.startPage | 2006 | - |
dc.citation.endPage | 2010 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.identifier.kciid | ART001789202 | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | Y | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.description.journalRegisteredClass | kci | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.subject.keywordPlus | GENETIC ALGORITHM | - |
dc.subject.keywordPlus | SPINAL-CORD | - |
dc.subject.keywordPlus | LAR | - |
dc.subject.keywordPlus | SOLVATION | - |
dc.subject.keywordPlus | RECEPTOR | - |
dc.subject.keywordPlus | DOCKING | - |
dc.subject.keywordPlus | REGENERATION | - |
dc.subject.keywordPlus | PLASTICITY | - |
dc.subject.keywordPlus | DISCOVERY | - |
dc.subject.keywordPlus | DOMAINS | - |
dc.subject.keywordAuthor | Virtual screening | - |
dc.subject.keywordAuthor | Docking | - |
dc.subject.keywordAuthor | LAR | - |
dc.subject.keywordAuthor | Inhibitor | - |
dc.subject.keywordAuthor | Drug design | - |
dc.identifier.url | http://koreascience.or.kr/article/JAKO201321963620246.page | - |
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